#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7x s GLU 2 N 0.00 0.52 0.81 1.97 2.12 -1.26 -5.15 118.70 117.71 3i7x s GLU 2 Ca 0.00 0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.23 3i7x s GLU 2 Cb 0.00 -0.64 0.08 0.00 0.26 0.00 0.00 34.13 33.83 3i7x s GLU 2 CO 0.00 -0.12 1.10 0.95 -0.54 0.00 0.00 175.26 176.65 3i7x s THR 3 N 1.01 3.07 0.13 -1.70 -4.23 -1.26 -4.84 115.64 107.81 3i7x s THR 3 Ca -0.10 0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 60.58 3i7x s THR 3 Cb -0.14 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 3i7x s THR 3 CO -0.01 -0.45 1.72 0.00 -0.54 0.00 0.00 174.62 175.34 3i7x h ALA 4 N -1.29 0.43 -0.15 3.99 0.00 -1.97 -1.54 119.26 118.73 3i7x h ALA 4 Ca -0.44 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3i7x h ALA 4 Cb 1.24 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3i7x h ALA 4 CO 0.50 -0.03 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 3i7x h ALA 5 N 1.03 -0.05 -0.77 0.00 0.00 -1.87 -1.13 119.26 116.48 3i7x h ALA 5 Ca 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i7x h ALA 5 Cb 0.09 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3i7x h ALA 5 CO -0.02 -0.59 0.45 0.00 0.00 0.00 0.00 179.25 179.09 3i7x h ALA 6 N 0.91 1.34 -0.17 0.00 0.00 -1.87 -1.97 119.26 117.50 3i7x h ALA 6 Ca 0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3i7x h ALA 6 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i7x h ALA 6 CO -0.26 0.56 -0.28 -0.22 0.00 0.00 0.00 179.25 179.05 3i7x h LYS 7 N 1.07 0.32 -0.33 0.00 3.64 -0.60 -1.38 116.57 119.29 3i7x h LYS 7 Ca 0.28 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 3i7x h LYS 7 Cb -0.02 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3i7x h LYS 7 CO -0.05 0.58 -0.39 0.35 -2.27 0.00 0.00 179.45 177.67 3i7x h PHE 8 N 0.28 1.03 -0.54 1.91 3.04 -0.54 -0.83 116.94 121.28 3i7x h PHE 8 Ca 0.04 -0.32 -0.02 0.00 3.98 0.00 0.00 57.97 61.65 3i7x h PHE 8 Cb 0.65 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 3i7x h PHE 8 CO 0.01 1.13 0.26 0.93 -2.02 0.00 0.00 178.31 178.62 3i7x h GLU 9 N 0.63 0.78 -0.17 1.11 5.08 -1.06 0.29 114.58 121.24 3i7x h GLU 9 Ca 0.04 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3i7x h GLU 9 Cb 0.98 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3i7x h GLU 9 CO 0.09 0.64 0.02 -0.09 -1.00 0.00 0.00 179.01 178.68 3i7x h ARG 10 N 0.73 0.29 0.01 2.33 2.43 -1.20 -1.99 114.38 116.98 3i7x h ARG 10 Ca 0.19 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 3i7x h ARG 10 Cb 0.12 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3i7x h ARG 10 CO -0.02 0.47 -0.87 1.96 -1.51 0.00 0.00 179.97 179.99 3i7x h GLN 11 N 0.07 0.05 0.00 0.20 4.20 -0.94 -3.40 115.11 115.28 3i7x h GLN 11 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i7x h GLN 11 Cb 0.33 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3i7x h GLN 11 CO 0.00 0.89 -0.49 0.72 -0.67 0.00 0.00 178.83 179.28 3i7x n HIS 12 N -3.55 0.00 -3.14 2.96 8.25 0.98 -4.66 115.22 116.06 3i7x n HIS 12 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 3i7x n HIS 12 Cb 0.82 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.88 3i7x n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3i7x s MET 13 N -1.49 4.32 -0.42 -0.41 -1.94 -0.75 0.10 119.30 118.72 3i7x s MET 13 Ca 0.00 0.66 0.05 0.00 -1.71 0.00 0.00 55.69 54.69 3i7x s MET 13 Cb 0.00 -3.50 0.17 0.00 2.01 0.00 0.00 34.83 33.51 3i7x s MET 13 CO 0.00 -0.04 0.47 0.34 -0.01 0.00 0.00 175.02 175.79 3i7x s ASP 14 N 0.92 0.37 0.00 3.03 3.68 -0.63 -4.85 116.67 119.18 3i7x s ASP 14 Ca 0.31 -1.90 0.26 0.00 2.13 0.00 0.00 52.55 53.35 3i7x s ASP 14 Cb -0.16 0.77 0.70 0.00 -1.45 0.00 0.00 42.92 42.78 3i7x s ASP 14 CO 0.13 -0.18 1.53 -1.20 0.13 0.00 0.00 175.17 175.58 3i7x n SER 15 N 3.62 1.00 0.11 -0.34 7.64 -1.26 -4.03 113.62 120.36 3i7x n SER 15 Ca 0.17 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.21 3i7x n SER 15 Cb 0.49 0.16 0.31 0.00 -1.01 0.00 0.00 64.21 64.17 3i7x n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3i7x h SER 16 N 1.11 0.22 -3.33 6.43 4.64 -1.94 -3.44 113.55 117.24 3i7x h SER 16 Ca 0.00 -0.07 -0.61 0.00 -0.47 0.00 0.00 61.79 60.64 3i7x h SER 16 Cb 0.51 -0.06 -0.18 0.00 -0.31 0.00 0.00 62.40 62.36 3i7x h SER 16 CO 0.00 0.50 -0.81 0.42 -0.87 0.00 0.00 176.83 176.07 3i7x s THR 17 N -4.42 2.16 -0.85 2.95 -4.23 -1.26 -5.03 115.64 104.97 3i7x s THR 17 Ca -0.05 -1.98 0.26 0.00 -1.18 0.00 0.00 61.69 58.74 3i7x s THR 17 Cb 0.14 -2.02 0.15 0.00 1.34 0.00 0.00 72.50 72.12 3i7x s THR 17 CO 0.75 -0.18 1.62 -1.54 -0.54 0.00 0.00 174.62 174.73 3i7x n SER 18 N 0.30 0.48 -3.72 3.99 3.41 -1.26 -4.76 113.62 112.06 3i7x n SER 18 Ca -0.13 0.25 0.03 0.00 -0.26 0.00 0.00 58.87 58.76 3i7x n SER 18 Cb 0.56 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3i7x n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7x s ALA 19 N -3.06 -2.52 -0.34 7.33 0.00 -1.26 -4.84 121.76 117.06 3i7x s ALA 19 Ca 0.11 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 3i7x s ALA 19 Cb 0.16 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3i7x s ALA 19 CO 0.63 -1.10 1.67 0.00 0.00 0.00 0.00 175.76 176.95 3i7x s ALA 20 N -2.10 2.96 0.03 0.00 0.00 -1.26 -4.90 121.76 116.49 3i7x s ALA 20 Ca 0.21 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 3i7x s ALA 20 Cb 0.04 -3.98 -0.08 0.00 0.00 0.00 0.00 23.12 19.11 3i7x s ALA 20 CO -0.04 -2.50 1.23 0.66 0.00 0.00 0.00 175.76 175.11 3i7x h SER 21 N 12.02 -0.54 -3.01 0.00 4.64 -1.99 -3.48 113.55 121.20 3i7x h SER 21 Ca -0.32 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 3i7x h SER 21 Cb 1.15 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3i7x h SER 21 CO 1.04 -0.30 -0.05 -1.54 -0.87 0.00 0.00 176.83 175.11 3i7x n SER 22 N -3.56 1.61 0.03 4.97 3.41 -1.26 -5.03 113.62 113.78 3i7x n SER 22 Ca -0.06 -1.25 0.14 0.00 -0.26 0.00 0.00 58.87 57.44 3i7x n SER 22 Cb 0.20 0.08 0.54 0.00 -0.26 0.00 0.00 64.21 64.77 3i7x n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i7x n SER 23 N -1.48 0.25 -0.04 4.04 3.41 -1.26 -3.10 113.62 115.43 3i7x n SER 23 Ca -0.02 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 3i7x n SER 23 Cb 0.07 -0.52 0.14 0.00 -0.26 0.00 0.00 64.21 63.65 3i7x n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i7x n ASN 24 N -1.70 0.75 -0.28 4.04 5.03 -1.26 -4.27 115.26 117.56 3i7x n ASN 24 Ca 0.06 -0.57 -0.09 0.00 0.87 0.00 0.00 54.58 54.85 3i7x n ASN 24 Cb 0.36 0.46 -0.08 0.00 -1.02 0.00 0.00 39.78 39.51 3i7x n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3i7x h TYR 25 N 0.19 -1.48 -0.20 3.10 5.03 -1.95 0.30 116.97 121.96 3i7x h TYR 25 Ca 0.00 0.09 0.06 0.00 2.58 0.00 0.00 58.73 61.46 3i7x h TYR 25 Cb 0.51 0.74 -0.01 0.00 1.55 0.00 0.00 36.73 39.52 3i7x h TYR 25 CO 0.00 -0.32 0.20 0.00 -1.32 0.00 0.00 178.16 176.72 3i7x h ASN 27 N 0.00 -0.20 1.27 0.00 2.35 -0.69 -2.39 115.58 115.92 3i7x h ASN 27 Ca 0.10 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 3i7x h ASN 27 Cb 0.49 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3i7x h ASN 27 CO -0.00 0.26 -0.27 0.06 -1.65 0.00 0.00 177.43 175.83 3i7x h GLN 28 N -0.72 0.00 0.07 0.81 3.07 -1.16 -3.11 115.11 114.08 3i7x h GLN 28 Ca -0.02 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.44 3i7x h GLN 28 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.08 3i7x h GLN 28 CO 0.04 0.27 -1.15 0.52 0.09 0.00 0.00 178.83 178.61 3i7x h MET 29 N 0.00 0.59 0.00 0.06 2.86 -1.24 0.89 114.93 118.09 3i7x h MET 29 Ca -0.00 -0.73 -0.03 0.00 -2.06 0.00 0.00 59.70 56.88 3i7x h MET 29 Cb 0.98 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 3i7x h MET 29 CO 0.04 1.31 -0.15 0.52 1.06 0.00 0.00 176.91 179.69 3i7x h MET 30 N 0.29 0.00 0.00 1.72 2.86 -1.46 -1.86 114.93 116.48 3i7x h MET 30 Ca -0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3i7x h MET 30 Cb 1.81 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.47 3i7x h MET 30 CO 0.22 0.15 -0.07 -0.22 1.06 0.00 0.00 176.91 178.04 3i7x h LYS 31 N 0.00 0.00 0.00 1.72 1.63 -1.45 0.22 116.57 118.69 3i7x h LYS 31 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3i7x h LYS 31 Cb 0.38 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3i7x h LYS 31 CO 0.02 0.50 -0.00 0.66 -3.45 0.00 0.00 179.45 177.17 3i7x h SER 32 N -1.00 0.00 -0.39 4.20 4.64 -0.69 -0.24 113.55 120.07 3i7x h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i7x h SER 32 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3i7x h SER 32 CO -0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 3i7x n ARG 33 N -4.30 1.94 -3.50 4.77 5.12 -0.71 -4.93 116.66 115.04 3i7x n ARG 33 Ca -0.03 -1.45 -0.22 0.00 -1.93 0.00 0.00 57.85 54.22 3i7x n ARG 33 Cb 0.09 -1.32 0.07 0.00 -1.16 0.00 0.00 32.46 30.14 3i7x n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3i7x n ASN 34 N 0.68 -5.84 -1.44 0.55 3.02 -0.10 -4.85 115.26 107.29 3i7x n ASN 34 Ca 0.14 -0.50 0.11 0.00 -0.03 0.00 0.00 54.58 54.30 3i7x n ASN 34 Cb 0.35 -4.69 0.34 0.00 -0.61 0.00 0.00 39.78 35.16 3i7x n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i7x n LEU 35 N -4.63 4.20 0.00 3.41 4.77 0.77 -4.06 117.00 121.47 3i7x n LEU 35 Ca -0.01 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 3i7x n LEU 35 Cb 0.56 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i7x n LEU 35 CO 0.60 0.95 0.25 0.35 -1.33 0.00 0.00 177.39 178.21 3i7x n THR 36 N 1.54 0.23 0.18 -5.08 -2.24 -1.20 -2.37 114.28 105.35 3i7x n THR 36 Ca 0.25 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 3i7x n THR 36 Cb 0.70 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.96 3i7x n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i7x h LYS 37 N 0.00 -0.76 0.00 -0.78 1.79 -1.89 -3.35 116.57 111.58 3i7x h LYS 37 Ca 0.00 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 3i7x h LYS 37 Cb 0.65 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 3i7x h LYS 37 CO 0.00 -0.51 -1.73 -0.25 -1.08 0.00 0.00 179.45 175.89 3i7x n ASP 38 N -5.14 1.53 -3.79 0.86 8.00 -1.26 -5.04 116.55 111.71 3i7x n ASP 38 Ca -0.09 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.31 3i7x n ASP 38 Cb 0.39 1.59 -0.05 0.00 -0.02 0.00 0.00 41.12 43.03 3i7x n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i7x s ARG 39 N -2.97 1.17 -0.27 -1.24 3.52 -1.26 -5.07 118.95 112.84 3i7x s ARG 39 Ca -0.06 -0.93 -0.22 0.00 -0.13 0.00 0.00 55.73 54.40 3i7x s ARG 39 Cb 0.09 0.45 -0.01 0.00 -1.56 0.00 0.00 34.95 33.92 3i7x s ARG 39 CO 0.62 -0.46 0.70 0.00 -0.81 0.00 0.00 175.30 175.36 3i7x s LYS 41 N 2.68 3.65 0.11 0.00 2.47 -1.00 -4.89 119.74 122.76 3i7x s LYS 41 Ca 0.29 1.68 -0.31 0.00 -1.56 0.00 0.00 55.97 56.07 3i7x s LYS 41 Cb -0.15 -4.11 -0.11 0.00 -1.46 0.00 0.00 37.83 32.00 3i7x s LYS 41 CO 0.09 -1.47 1.59 -1.00 0.16 0.00 0.00 175.35 174.72 3i7x h PRO 42 N 11.55 -0.66 -5.39 4.03 0.13 -1.93 -3.43 132.00 136.29 3i7x h PRO 42 Ca -0.35 0.05 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 3i7x h PRO 42 Cb 1.17 0.15 -0.28 0.00 0.13 0.00 0.00 31.00 32.17 3i7x h PRO 42 CO 1.00 -0.44 -0.81 0.08 -0.23 0.00 0.00 178.00 177.60 3i7x s VAL 43 N -5.92 1.17 -0.12 1.56 1.01 -1.26 -1.79 120.40 115.05 3i7x s VAL 43 Ca -0.16 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 3i7x s VAL 43 Cb 0.07 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.51 3i7x s VAL 43 CO 0.63 0.26 0.54 0.21 0.00 0.00 0.00 175.10 176.74 3i7x s ASN 44 N -0.54 -0.52 -0.02 3.32 2.47 -0.22 -5.02 114.94 114.41 3i7x s ASN 44 Ca 0.05 0.80 0.08 0.00 0.42 0.00 0.00 52.86 54.20 3i7x s ASN 44 Cb -0.06 0.80 -0.02 0.00 -1.45 0.00 0.00 41.25 40.52 3i7x s ASN 44 CO -0.00 -0.36 -0.25 -0.89 -3.72 0.00 0.00 177.10 171.87 3i7x s THR 45 N -0.46 2.01 -0.09 -5.21 2.01 -1.26 -0.51 115.64 112.13 3i7x s THR 45 Ca -0.06 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 60.89 3i7x s THR 45 Cb -0.03 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 3i7x s THR 45 CO 0.04 0.57 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.01 3i7x s PHE 46 N -0.54 2.68 -0.20 4.92 0.08 0.54 -4.24 117.98 121.21 3i7x s PHE 46 Ca 0.08 -0.55 -0.07 0.00 0.12 0.00 0.00 56.93 56.51 3i7x s PHE 46 Cb -0.10 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 3i7x s PHE 46 CO -0.00 -0.12 0.05 0.08 -0.10 0.00 0.00 175.22 175.13 3i7x s VAL 47 N -0.07 4.52 -0.97 -0.44 1.01 0.12 0.10 120.40 124.66 3i7x s VAL 47 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3i7x s VAL 47 Cb -0.14 -3.06 0.32 0.00 0.00 0.00 0.00 36.38 33.51 3i7x s VAL 47 CO 0.04 0.42 1.74 1.41 0.00 0.00 0.00 175.10 178.71 3i7x n HIS 48 N 4.04 2.92 -4.33 5.22 8.25 0.11 -1.61 115.22 129.82 3i7x n HIS 48 Ca -0.16 -2.71 -0.18 0.00 -0.26 0.00 0.00 57.72 54.41 3i7x n HIS 48 Cb 0.52 -1.12 -0.10 0.00 1.12 0.00 0.00 29.99 30.42 3i7x n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i7x s GLU 49 N -4.23 1.49 0.50 -0.41 0.41 -1.26 -4.54 118.70 110.67 3i7x s GLU 49 Ca 0.41 -1.83 -0.21 0.00 -0.41 0.00 0.00 54.97 52.93 3i7x s GLU 49 Cb 0.21 -0.21 -0.07 0.00 -1.78 0.00 0.00 34.13 32.28 3i7x s GLU 49 CO -0.14 -0.36 1.12 -1.54 -0.49 0.00 0.00 175.26 173.85 3i7x s SER 50 N -3.34 6.01 0.19 -0.19 1.04 -1.26 -4.15 113.70 111.99 3i7x s SER 50 Ca 0.37 2.16 -0.12 0.00 0.48 0.00 0.00 55.95 58.84 3i7x s SER 50 Cb 0.07 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.79 3i7x s SER 50 CO 0.15 -1.02 1.74 0.25 0.98 0.00 0.00 173.24 175.34 3i7x h LEU 51 N 1.56 0.13 -0.54 2.42 5.85 -1.99 -0.97 115.31 121.79 3i7x h LEU 51 Ca -0.50 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.40 3i7x h LEU 51 Cb 1.25 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.24 3i7x h LEU 51 CO 0.58 0.10 -0.15 0.00 -0.34 0.00 0.00 178.44 178.63 3i7x h ALA 52 N 1.36 0.32 -0.56 1.25 0.00 -1.98 0.48 119.26 120.12 3i7x h ALA 52 Ca 0.25 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 3i7x h ALA 52 Cb 0.30 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3i7x h ALA 52 CO -0.28 -0.46 0.19 -0.44 0.00 0.00 0.00 179.25 178.26 3i7x h ASP 53 N -0.02 0.77 -0.13 0.00 3.32 -1.61 -0.27 116.42 118.48 3i7x h ASP 53 Ca 0.26 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 3i7x h ASP 53 Cb 0.41 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.77 3i7x h ASP 53 CO -0.56 0.72 -0.67 0.58 -1.72 0.00 0.00 179.24 177.58 3i7x h VAL 54 N 0.81 1.31 -0.58 -1.35 2.07 0.19 -2.96 116.25 115.75 3i7x h VAL 54 Ca 0.19 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 3i7x h VAL 54 Cb 0.22 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3i7x h VAL 54 CO -0.01 0.60 0.31 1.56 0.02 0.00 0.00 177.57 180.05 3i7x h GLN 55 N 0.38 0.79 0.00 1.57 4.20 0.08 -1.21 115.11 120.91 3i7x h GLN 55 Ca -0.05 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3i7x h GLN 55 Cb 1.31 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 3i7x h GLN 55 CO 0.14 0.59 -0.02 0.00 -0.67 0.00 0.00 178.83 178.86 3i7x h ALA 56 N 1.54 1.46 0.00 3.87 0.00 -0.88 -0.93 119.26 124.33 3i7x h ALA 56 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i7x h ALA 56 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i7x h ALA 56 CO -0.03 0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.52 3i7x h VAL 57 N 0.00 0.00 0.00 0.00 2.07 -1.14 0.77 116.25 117.95 3i7x h VAL 57 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3i7x h VAL 57 Cb 0.06 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3i7x h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3i7x n SER 59 N -1.31 1.76 -0.02 0.00 3.41 0.26 -5.01 113.62 112.72 3i7x n SER 59 Ca 0.08 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3i7x n SER 59 Cb 0.14 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3i7x n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7x n GLN 60 N -0.61 3.47 -2.35 4.33 3.00 -0.91 -5.00 117.38 119.31 3i7x n GLN 60 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.59 3i7x n GLN 60 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.59 3i7x n GLN 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 3i7x s LYS 61 N 2.62 4.09 -0.40 -1.09 2.47 -1.06 -4.90 119.74 121.48 3i7x s LYS 61 Ca 0.00 1.60 -0.28 0.00 -1.56 0.00 0.00 55.97 55.72 3i7x s LYS 61 Cb 0.00 -3.85 0.02 0.00 -1.46 0.00 0.00 37.83 32.54 3i7x s LYS 61 CO 0.00 -0.90 1.08 1.21 0.16 0.00 0.00 175.35 176.90 3i7x s ASN 62 N 2.59 6.75 0.30 1.43 2.47 -1.26 -0.33 114.94 126.89 3i7x s ASN 62 Ca 0.59 0.70 0.07 0.00 0.42 0.00 0.00 52.86 54.64 3i7x s ASN 62 Cb -0.22 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 36.99 3i7x s ASN 62 CO 0.20 -1.05 -0.07 0.68 -3.72 0.00 0.00 177.10 173.14 3i7x s VAL 63 N 3.99 1.83 0.57 -5.21 -7.23 0.27 -4.97 120.40 109.66 3i7x s VAL 63 Ca 0.45 -2.15 -0.14 0.00 -1.81 0.00 0.00 61.98 58.34 3i7x s VAL 63 Cb -0.10 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.26 3i7x s VAL 63 CO 0.23 -0.26 1.01 0.00 -0.31 0.00 0.00 175.10 175.78 3i7x s ALA 64 N -2.88 3.06 0.39 1.32 0.00 -1.26 -2.43 121.76 119.95 3i7x s ALA 64 Ca 0.31 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3i7x s ALA 64 Cb 0.03 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3i7x s ALA 64 CO 0.14 -0.48 0.59 0.00 0.00 0.00 0.00 175.76 176.00 3i7x h LYS 66 N 0.63 0.51 0.00 0.00 1.79 -1.92 0.24 116.57 117.82 3i7x h LYS 66 Ca -0.48 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 3i7x h LYS 66 Cb 1.24 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3i7x h LYS 66 CO 0.59 0.34 0.00 0.27 -1.08 0.00 0.00 179.45 179.56 3i7x n ASN 67 N -4.92 0.00 0.00 0.86 6.94 -1.26 -4.85 115.26 112.03 3i7x n ASN 67 Ca 0.11 -0.36 0.00 0.00 -0.02 0.00 0.00 54.58 54.31 3i7x n ASN 67 Cb 0.30 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3i7x n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i7x n GLY 68 N 0.12 2.08 3.77 4.83 0.00 0.84 -5.05 105.19 111.79 3i7x n GLY 68 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3i7x n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7x s GLN 69 N -0.84 4.05 -0.17 1.61 -0.21 -1.26 -4.56 119.66 118.28 3i7x s GLN 69 Ca 0.00 2.41 0.06 0.00 0.02 0.00 0.00 55.36 57.85 3i7x s GLN 69 Cb 0.00 -2.89 0.43 0.00 1.00 0.00 0.00 33.01 31.55 3i7x s GLN 69 CO 0.00 -0.52 1.30 0.25 -2.12 0.00 0.00 175.29 174.20 3i7x n THR 70 N 0.34 1.77 -1.15 -0.19 -2.24 -1.26 -0.26 114.28 111.29 3i7x n THR 70 Ca 0.02 -0.88 0.01 0.00 -2.27 0.00 0.00 64.05 60.93 3i7x n THR 70 Cb 0.41 -0.49 0.25 0.00 -2.10 0.00 0.00 70.33 68.40 3i7x n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i7x n ASN 71 N 0.10 3.65 -4.88 3.42 6.94 -1.26 -4.81 115.26 118.41 3i7x n ASN 71 Ca 0.21 -3.31 -0.34 0.00 -0.02 0.00 0.00 54.58 51.12 3i7x n ASN 71 Cb 0.91 -0.62 -0.05 0.00 -2.36 0.00 0.00 39.78 37.65 3i7x n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i7x s TYR 73 N -1.39 1.37 -0.09 0.00 1.51 0.23 0.95 117.35 119.93 3i7x s TYR 73 Ca 0.32 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 3i7x s TYR 73 Cb -0.13 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 3i7x s TYR 73 CO 0.18 -0.11 0.01 -1.14 -1.11 0.00 0.00 175.55 173.39 3i7x s GLN 74 N -0.01 3.03 0.16 -0.62 0.74 0.56 -0.92 119.66 122.60 3i7x s GLN 74 Ca -0.01 -0.39 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 3i7x s GLN 74 Cb -0.09 -2.83 -0.07 0.00 1.10 0.00 0.00 33.01 31.12 3i7x s GLN 74 CO 0.01 0.70 1.15 -1.54 -0.55 0.00 0.00 175.29 175.06 3i7x s SER 75 N -0.87 7.17 0.21 6.67 1.04 -0.18 -2.56 113.70 125.19 3i7x s SER 75 Ca 0.13 2.13 -0.09 0.00 0.48 0.00 0.00 55.95 58.60 3i7x s SER 75 Cb -0.11 -2.60 0.29 0.00 0.10 0.00 0.00 66.02 63.69 3i7x s SER 75 CO 0.02 -0.32 1.78 1.88 0.98 0.00 0.00 173.24 177.58 3i7x h TYR 76 N 5.43 0.57 -1.03 5.02 0.05 -1.95 -3.43 116.97 121.62 3i7x h TYR 76 Ca -0.44 0.03 -0.54 0.00 0.05 0.00 0.00 58.73 57.83 3i7x h TYR 76 Cb 1.21 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.76 3i7x h TYR 76 CO 0.63 0.21 -0.32 -1.54 -1.05 0.00 0.00 178.16 176.09 3i7x s SER 77 N -5.49 4.83 0.63 3.88 1.04 -1.26 -5.07 113.70 112.27 3i7x s SER 77 Ca -0.13 -0.99 -0.10 0.00 0.48 0.00 0.00 55.95 55.21 3i7x s SER 77 Cb 0.17 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 3i7x s SER 77 CO 0.75 -0.91 1.01 0.42 0.98 0.00 0.00 173.24 175.49 3i7x s THR 78 N -2.63 4.21 0.06 2.02 -4.23 -1.26 -4.51 115.64 109.30 3i7x s THR 78 Ca 0.43 0.57 0.02 0.00 -1.18 0.00 0.00 61.69 61.52 3i7x s THR 78 Cb -0.03 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 3i7x s THR 78 CO 0.26 -0.86 -0.07 -0.04 -0.54 0.00 0.00 174.62 173.37 3i7x s MET 79 N -5.17 0.65 -0.16 3.99 -1.94 0.86 -4.87 119.30 112.66 3i7x s MET 79 Ca 0.55 -1.01 -0.29 0.00 -1.71 0.00 0.00 55.69 53.23 3i7x s MET 79 Cb -0.11 -0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.50 3i7x s MET 79 CO 0.51 0.01 1.45 0.45 -0.01 0.00 0.00 175.02 177.43 3i7x s SER 80 N -2.24 6.72 0.01 3.03 0.15 -1.26 -1.91 113.70 118.19 3i7x s SER 80 Ca -0.01 1.78 0.03 0.00 0.70 0.00 0.00 55.95 58.45 3i7x s SER 80 Cb -0.03 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 3i7x s SER 80 CO -0.02 -0.95 -0.10 -0.63 1.20 0.00 0.00 173.24 172.74 3i7x s ILE 81 N 4.11 0.79 -0.12 6.45 1.01 0.64 0.07 121.20 134.15 3i7x s ILE 81 Ca 0.64 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.73 3i7x s ILE 81 Cb -0.25 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.54 3i7x s ILE 81 CO 0.23 0.11 -0.20 -0.89 0.00 0.00 0.00 174.94 174.19 3i7x s THR 82 N -0.45 1.83 -0.15 2.92 2.01 0.11 -1.27 115.64 120.64 3i7x s THR 82 Ca 0.02 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 3i7x s THR 82 Cb -0.05 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3i7x s THR 82 CO 0.00 0.51 0.13 -0.62 -0.69 0.00 0.00 174.62 173.94 3i7x s ASP 83 N 0.81 6.23 -0.17 3.53 -1.08 -0.40 -0.34 116.67 125.25 3i7x s ASP 83 Ca -0.09 0.34 0.01 0.00 -0.52 0.00 0.00 52.55 52.29 3i7x s ASP 83 Cb -0.16 -2.05 0.02 0.00 -1.46 0.00 0.00 42.92 39.27 3i7x s ASP 83 CO -0.00 0.30 -0.18 0.00 0.52 0.00 0.00 175.17 175.81 3i7x s ARG 85 N 1.35 0.56 0.40 0.00 0.52 -1.14 -1.05 118.95 119.60 3i7x s ARG 85 Ca 0.05 -0.24 -0.27 0.00 -0.52 0.00 0.00 55.73 54.75 3i7x s ARG 85 Cb -0.13 -0.54 -0.10 0.00 0.52 0.00 0.00 34.95 34.70 3i7x s ARG 85 CO -0.12 0.14 1.45 -1.21 0.02 0.00 0.00 175.30 175.57 3i7x s GLU 86 N -0.12 3.95 0.75 3.54 2.02 -0.74 -0.24 118.70 127.87 3i7x s GLU 86 Ca 0.02 2.48 -0.05 0.00 0.02 0.00 0.00 54.97 57.44 3i7x s GLU 86 Cb -0.03 -2.84 0.12 0.00 0.10 0.00 0.00 34.13 31.47 3i7x s GLU 86 CO -0.00 -0.62 1.04 0.95 0.02 0.00 0.00 175.26 176.64 3i7x s THR 87 N -1.16 2.20 0.42 3.63 -4.23 -0.52 -4.79 115.64 111.19 3i7x s THR 87 Ca 0.56 -0.41 0.10 0.00 -1.18 0.00 0.00 61.69 60.76 3i7x s THR 87 Cb -0.45 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 70.82 3i7x s THR 87 CO 0.59 0.00 2.01 1.23 -0.54 0.00 0.00 174.62 177.92 3i7x h GLY 88 N -0.70 0.31 -4.13 3.99 0.00 -1.95 -2.67 103.07 97.92 3i7x h GLY 88 Ca -0.40 -0.15 -0.64 0.00 0.00 0.00 0.00 47.33 46.14 3i7x h GLY 88 CO 0.46 0.14 0.82 -1.14 0.00 0.00 0.00 176.54 176.82 3i7x n SER 89 N -4.40 7.45 -4.38 0.19 3.41 -1.26 -4.91 113.62 109.72 3i7x n SER 89 Ca -0.00 -3.67 -0.36 0.00 -0.26 0.00 0.00 58.87 54.58 3i7x n SER 89 Cb 0.16 -1.02 -0.13 0.00 -0.26 0.00 0.00 64.21 62.96 3i7x n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i7x s SER 90 N -1.30 4.95 -0.03 4.04 0.15 -1.01 -4.71 113.70 115.79 3i7x s SER 90 Ca 0.57 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 3i7x s SER 90 Cb 0.45 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.92 3i7x s SER 90 CO -0.09 -0.09 0.07 -0.75 1.20 0.00 0.00 173.24 173.58 3i7x s LYS 91 N 1.55 0.02 0.37 5.44 2.20 -1.03 -4.89 119.74 123.39 3i7x s LYS 91 Ca 0.05 0.22 -0.28 0.00 -0.36 0.00 0.00 55.97 55.59 3i7x s LYS 91 Cb -0.16 -0.16 -0.11 0.00 -1.51 0.00 0.00 37.83 35.89 3i7x s LYS 91 CO 0.02 -0.13 1.46 -0.47 -0.36 0.00 0.00 175.35 175.87 3i7x s TYR 92 N 0.85 2.67 -1.24 4.03 5.04 -1.26 0.14 117.35 127.58 3i7x s TYR 92 Ca -0.07 1.20 0.08 0.00 -2.44 0.00 0.00 57.07 55.83 3i7x s TYR 92 Cb -0.09 -3.97 0.32 0.00 0.35 0.00 0.00 41.96 38.57 3i7x s TYR 92 CO -0.03 -2.82 1.12 -0.35 -1.34 0.00 0.00 175.55 172.13 3i7x n PRO 93 N 0.58 2.28 -3.18 4.97 -0.04 -1.26 -4.97 135.00 133.37 3i7x n PRO 93 Ca 0.01 -1.26 -0.43 0.00 -0.04 0.00 0.00 63.50 61.78 3i7x n PRO 93 Cb 0.40 -1.58 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3i7x n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i7x n ASN 94 N 0.34 5.87 -4.76 3.54 5.03 0.37 -5.03 115.26 120.61 3i7x n ASN 94 Ca 0.11 -3.26 -0.39 0.00 0.87 0.00 0.00 54.58 51.91 3i7x n ASN 94 Cb 0.49 -1.27 -0.05 0.00 -1.02 0.00 0.00 39.78 37.93 3i7x n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i7x s ALA 96 N -1.33 0.92 0.14 0.00 0.00 -1.26 -4.94 121.76 115.28 3i7x s ALA 96 Ca 0.48 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.32 3i7x s ALA 96 Cb -0.27 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3i7x s ALA 96 CO 0.34 0.06 -0.24 0.71 0.00 0.00 0.00 175.76 176.63 3i7x s TYR 97 N 0.75 2.13 -0.25 0.00 2.02 -1.26 -1.44 117.35 119.30 3i7x s TYR 97 Ca -0.12 -0.39 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 3i7x s TYR 97 Cb -0.15 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.24 3i7x s TYR 97 CO 0.02 0.34 0.25 0.21 -1.57 0.00 0.00 175.55 174.80 3i7x s LYS 98 N -2.22 4.04 -0.25 -0.62 2.20 0.67 -4.73 119.74 118.84 3i7x s LYS 98 Ca 0.14 -0.15 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 3i7x s LYS 98 Cb -0.09 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 3i7x s LYS 98 CO 0.06 -0.09 0.38 0.99 -0.36 0.00 0.00 175.35 176.33 3i7x s THR 99 N 1.51 5.19 -0.23 3.43 2.01 -1.26 -2.86 115.64 123.42 3i7x s THR 99 Ca 0.11 0.61 0.01 0.00 0.31 0.00 0.00 61.69 62.73 3i7x s THR 99 Cb -0.15 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.71 3i7x s THR 99 CO 0.08 0.19 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.24 3i7x s THR 100 N 1.78 1.65 0.08 -0.82 2.01 -0.80 -4.91 115.64 114.64 3i7x s THR 100 Ca 0.16 -1.24 -0.10 0.00 0.31 0.00 0.00 61.69 60.82 3i7x s THR 100 Cb -0.15 -1.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 3i7x s THR 100 CO 0.09 -0.04 0.41 -1.58 -0.69 0.00 0.00 174.62 172.81 3i7x s GLN 101 N 1.35 3.78 0.04 4.92 2.00 -1.26 -1.28 119.66 129.21 3i7x s GLN 101 Ca -0.05 0.21 -0.29 0.00 -2.00 0.00 0.00 55.36 53.23 3i7x s GLN 101 Cb -0.18 -3.00 0.10 0.00 0.80 0.00 0.00 33.01 30.72 3i7x s GLN 101 CO -0.06 0.56 1.16 0.00 -0.50 0.00 0.00 175.29 176.45 3i7x s ALA 102 N -1.39 -2.01 -0.33 1.58 0.00 -0.40 -5.02 121.76 114.20 3i7x s ALA 102 Ca 0.33 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3i7x s ALA 102 Cb -0.14 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.50 3i7x s ALA 102 CO 0.18 -1.03 0.04 -0.80 0.00 0.00 0.00 175.76 174.15 3i7x s ASN 103 N -2.93 4.87 0.27 0.00 -0.87 -1.26 -0.26 114.94 114.76 3i7x s ASN 103 Ca 0.13 -1.67 0.02 0.00 -1.57 0.00 0.00 52.86 49.77 3i7x s ASN 103 Cb 0.02 -1.69 -0.04 0.00 -0.02 0.00 0.00 41.25 39.52 3i7x s ASN 103 CO -0.02 -0.34 0.16 -0.54 -2.57 0.00 0.00 177.10 173.79 3i7x s LYS 104 N 1.12 1.49 0.26 -0.60 3.01 -0.80 -4.70 119.74 119.51 3i7x s LYS 104 Ca 0.01 -1.83 -0.29 0.00 -1.01 0.00 0.00 55.97 52.85 3i7x s LYS 104 Cb -0.20 0.03 -0.09 0.00 -1.01 0.00 0.00 37.83 36.56 3i7x s LYS 104 CO -0.04 -0.44 1.00 -1.01 0.51 0.00 0.00 175.35 175.37 3i7x s HIS 105 N -3.75 3.81 0.01 3.18 3.76 0.24 -0.09 115.29 122.44 3i7x s HIS 105 Ca 0.37 1.83 -0.07 0.00 -0.15 0.00 0.00 55.06 57.05 3i7x s HIS 105 Cb 0.06 -3.08 -0.05 0.00 1.11 0.00 0.00 32.58 30.62 3i7x s HIS 105 CO 0.17 0.08 0.27 0.00 -0.85 0.00 0.00 174.74 174.41 3i7x s ALA 106 N -1.21 3.85 -0.14 -1.40 0.00 -1.26 -0.40 121.76 121.19 3i7x s ALA 106 Ca 0.43 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3i7x s ALA 106 Cb -0.27 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.80 3i7x s ALA 106 CO 0.34 0.65 -0.15 0.42 0.00 0.00 0.00 175.76 177.03 3i7x s ILE 107 N -1.31 1.57 0.27 0.00 1.01 0.18 -1.01 121.20 121.91 3i7x s ILE 107 Ca 0.28 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3i7x s ILE 107 Cb -0.13 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.82 3i7x s ILE 107 CO 0.16 0.46 -0.02 0.68 0.00 0.00 0.00 174.94 176.23 3i7x s VAL 108 N 1.37 1.31 -0.11 2.92 -7.23 -0.09 -0.97 120.40 117.60 3i7x s VAL 108 Ca 0.02 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3i7x s VAL 108 Cb -0.13 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 3i7x s VAL 108 CO -0.09 -0.26 0.00 0.00 -0.31 0.00 0.00 175.10 174.44 3i7x s ALA 109 N -3.23 3.24 0.16 1.32 0.00 0.08 0.75 121.76 124.07 3i7x s ALA 109 Ca 0.30 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.57 3i7x s ALA 109 Cb 0.05 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 3i7x s ALA 109 CO 0.11 0.46 -0.26 0.00 0.00 0.00 0.00 175.76 176.08 3i7x s GLU 111 N -2.31 0.78 0.00 0.00 -1.05 -0.93 -4.92 118.70 110.27 3i7x s GLU 111 Ca 0.17 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 3i7x s GLU 111 Cb -0.09 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3i7x s GLU 111 CO 0.08 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.35 3i7x n GLY 112 N -0.31 -1.21 2.81 -3.83 0.00 -1.26 -3.22 105.19 98.17 3i7x n GLY 112 Ca -0.06 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 3i7x n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7x s ASN 113 N -2.66 2.54 0.57 1.61 3.04 -1.26 -1.69 114.94 117.08 3i7x s ASN 113 Ca 0.00 -0.57 -0.21 0.00 0.04 0.00 0.00 52.86 52.12 3i7x s ASN 113 Cb 0.00 -0.68 -0.04 0.00 -1.54 0.00 0.00 41.25 38.99 3i7x s ASN 113 CO 0.00 -0.23 1.33 -2.16 -3.04 0.00 0.00 177.10 173.00 3i7x s PRO 114 N 1.80 3.02 -0.65 0.43 0.04 -1.26 -5.09 135.00 133.29 3i7x s PRO 114 Ca 0.01 2.16 -0.27 0.00 0.04 0.00 0.00 61.00 62.94 3i7x s PRO 114 Cb -0.15 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.26 3i7x s PRO 114 CO -0.07 -1.26 1.34 -0.47 0.04 0.00 0.00 177.00 176.58 3i7x s TYR 115 N -1.34 2.30 0.28 0.56 5.04 -0.68 -4.87 117.35 118.63 3i7x s TYR 115 Ca 0.74 0.25 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 3i7x s TYR 115 Cb -0.39 -4.50 -0.05 0.00 0.35 0.00 0.00 41.96 37.37 3i7x s TYR 115 CO 0.45 -1.97 0.09 0.14 -1.34 0.00 0.00 175.55 172.92 3i7x s VAL 116 N 5.94 0.73 0.24 3.14 -7.23 -1.20 -4.85 120.40 117.17 3i7x s VAL 116 Ca 0.44 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 3i7x s VAL 116 Cb -0.09 -2.68 -0.11 0.00 0.56 0.00 0.00 36.38 34.07 3i7x s VAL 116 CO 0.20 0.00 1.54 -2.84 -0.31 0.00 0.00 175.10 173.69 3i7x s PRO 117 N -3.99 4.20 0.00 4.82 0.02 -1.26 -2.18 135.00 136.61 3i7x s PRO 117 Ca 0.37 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.82 3i7x s PRO 117 Cb 0.08 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3i7x s PRO 117 CO 0.14 -0.56 0.20 1.33 -0.33 0.00 0.00 177.00 177.78 3i7x n VAL 118 N 2.78 0.00 -3.57 3.83 0.24 0.82 -4.49 118.33 117.94 3i7x n VAL 118 Ca 0.10 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 3i7x n VAL 118 Cb 0.38 1.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.98 3i7x n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3i7x s HIS 119 N -0.19 -0.49 -0.39 6.34 5.65 -1.18 -4.65 115.29 120.37 3i7x s HIS 119 Ca 0.00 0.93 -0.09 0.00 0.25 0.00 0.00 55.06 56.15 3i7x s HIS 119 Cb 0.00 0.41 0.05 0.00 -1.18 0.00 0.00 32.58 31.87 3i7x s HIS 119 CO 0.00 -0.40 0.22 0.12 -0.65 0.00 0.00 174.74 174.03 3i7x s PHE 120 N -0.84 3.29 -0.05 3.88 2.19 -1.26 -0.74 117.98 124.45 3i7x s PHE 120 Ca -0.04 -1.31 -0.22 0.00 0.33 0.00 0.00 56.93 55.70 3i7x s PHE 120 Cb -0.01 -2.68 -0.16 0.00 -1.31 0.00 0.00 43.02 38.86 3i7x s PHE 120 CO 0.03 -0.76 0.89 0.22 1.83 0.00 0.00 175.22 177.43 3i7x h ASP 121 N 8.40 -0.15 -5.80 6.13 3.58 -1.37 -3.49 116.42 123.71 3i7x h ASP 121 Ca -0.24 -0.40 0.33 0.00 0.42 0.00 0.00 57.03 57.15 3i7x h ASP 121 Cb 1.09 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 42.11 3i7x h ASP 121 CO 0.71 0.42 0.88 0.00 -2.88 0.00 0.00 179.24 178.36 3i7x s ALA 122 N -3.65 -2.40 -0.04 -0.78 0.00 -0.92 -4.94 121.76 109.03 3i7x s ALA 122 Ca -0.13 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 3i7x s ALA 122 Cb 0.00 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.02 3i7x s ALA 122 CO 0.50 -1.14 0.00 -1.54 0.00 0.00 0.00 175.76 173.58 3i7x s SER 123 N -3.75 0.79 0.00 0.00 1.04 -1.26 0.52 113.70 111.03 3i7x s SER 123 Ca 0.28 -0.04 0.09 0.00 0.48 0.00 0.00 55.95 56.76 3i7x s SER 123 Cb -0.00 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.90 3i7x s SER 123 CO -0.00 -0.13 0.78 0.52 0.98 0.00 0.00 173.24 175.39